Geometry & MOs

Info

ID:	251884
PubChem CID:	103107566
Reduced:	FN3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	356.07356
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	4.26
IP(EA), eV:	-9.25(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=N1)CC2CC3=C(O2)C=CC(=C3)F

DOS

IR

Vibrations